[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[1-(4-chlorophenyl)triazol-4-yl]methanone

C20H11Cl2N5OS — CID 155523851

IUPAC[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[1-(4-chlorophenyl)triazol-4-yl]methanone
SMILESO=C(c1cn(-c2ccc(Cl)cc2)nn1)c1c(-c2ccc(Cl)cc2)nc2sccn12
InChIInChI=1S/C20H11Cl2N5OS/c21-13-3-1-12(2-4-13)17-18(26-9-10-29-20(26)23-17)19(28)16-11-27(25-24-16)15-7-5-14(22)6-8-15/h1-11H
InChIKeyJWWVOYHTOFEGCM-UHFFFAOYSA-N
MW440.32 g/mol
LogP5.18
Rot. Bonds4

About [6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[1-(4-chlorophenyl)triazol-4-yl]methanone

[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[1-(4-chlorophenyl)triazol-4-yl]methanone (PubChem CID 155523851) has the molecular formula C20H11Cl2N5OS and a molecular weight of 440.32 g/mol. Its IUPAC name is [6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[1-(4-chlorophenyl)triazol-4-yl]methanone.

Molecular Properties

Compound Name[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[1-(4-chlorophenyl)triazol-4-yl]methanone
PubChem CID155523851
Molecular FormulaC20H11Cl2N5OS
Molecular Weight440.32 g/mol
Exact Mass439.01
IUPAC Name[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[1-(4-chlorophenyl)triazol-4-yl]methanone
SMILESO=C(c1cn(-c2ccc(Cl)cc2)nn1)c1c(-c2ccc(Cl)cc2)nc2sccn12
InChIInChI=1S/C20H11Cl2N5OS/c21-13-3-1-12(2-4-13)17-18(26-9-10-29-20(26)23-17)19(28)16-11-27(25-24-16)15-7-5-14(22)6-8-15/h1-11H
InChIKeyJWWVOYHTOFEGCM-UHFFFAOYSA-N
XLogP5.18
TPSA65.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.32
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[1-(4-chlorophenyl)triazol-4-yl]methanone?
The IUPAC name of [6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[1-(4-chlorophenyl)triazol-4-yl]methanone (CID 155523851) is [6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[1-(4-chlorophenyl)triazol-4-yl]methanone.
What is the SMILES notation for [6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[1-(4-chlorophenyl)triazol-4-yl]methanone?
The canonical SMILES for [6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[1-(4-chlorophenyl)triazol-4-yl]methanone is O=C(c1cn(-c2ccc(Cl)cc2)nn1)c1c(-c2ccc(Cl)cc2)nc2sccn12.
What is the InChIKey of [6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[1-(4-chlorophenyl)triazol-4-yl]methanone?
The InChIKey is JWWVOYHTOFEGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11Cl2N5OS/c21-13-3-1-12(2-4-13)17-18(26-9-10-29-20(26)23-17)19(28)16-11-27(25-24-16)15-7-5-14(22)6-8-15/h1-11H.
What are the key properties of [6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[1-(4-chlorophenyl)triazol-4-yl]methanone?
[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[1-(4-chlorophenyl)triazol-4-yl]methanone has a molecular weight of 440.32 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[1-(4-chlorophenyl)triazol-4-yl]methanone is sourced from PubChem (CID 155523851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).